2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid

C19H18N2O3 — CID 110435483

IUPAC2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
SMILESCOc1ccc(C)cc1Nc1cc(CC(=O)O)nc2ccccc12
InChIInChI=1S/C19H18N2O3/c1-12-7-8-18(24-2)17(9-12)21-16-10-13(11-19(22)23)20-15-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGLTYZWSXPNTBLA-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds5

About 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid

2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid (PubChem CID 110435483) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
PubChem CID110435483
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
SMILESCOc1ccc(C)cc1Nc1cc(CC(=O)O)nc2ccccc12
InChIInChI=1S/C19H18N2O3/c1-12-7-8-18(24-2)17(9-12)21-16-10-13(11-19(22)23)20-15-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGLTYZWSXPNTBLA-UHFFFAOYSA-N
XLogP3.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435512
2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
CID 110435485
methyl 2-[4-(2,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435426
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
CID 110435490
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
CID 110435510
2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
CID 110435504
2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
CID 110432706
2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid
CID 110432724
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid (CID 110435483) is 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid is COc1ccc(C)cc1Nc1cc(CC(=O)O)nc2ccccc12.
What is the InChIKey of 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid?
The InChIKey is GLTYZWSXPNTBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-7-8-18(24-2)17(9-12)21-16-10-13(11-19(22)23)20-15-6-4-3-5-14(15)16/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid?
2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid has a molecular weight of 322.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110435483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).